N-propan-2-yl-1-[1-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonyl)piperidin-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-propan-2-yl-1-[1-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonyl)piperidin-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-isopropyl-1-[1-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-4-piperidyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[oxo(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methyl]-4-piperidinyl]-N-propan-2-yl-4-piperidin-1-iumcarboxamide IUPAC Name: N-propan-2-yl-1-[1-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)piperidin-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-isopropyl-1-[1-(4,5,6,7-tetrahydroisobenzothiophene-1-carbonyl)-4-piperidyl]piperidin-1-ium-4-carboxamide Formula: C23H36N3O2S+ MolecularWeight: 418.61584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=C4CCCCC4=CS3

Isomeric SMILES

CC(C)NC(=O)C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=C4CCCCC4=CS3

InChI

InChI=1S/C23H35N3O2S/c1-16(2)24-22(27)17-7-11-25(12-8-17)19-9-13-26(14-10-19)23(28)21-20-6-4-3-5-18(20)15-29-21/h15-17,19H,3-14H2,1-2H3,(H,24,27)/p+1